NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundXindongnin B
NPACT-IdNPACT01385
IUPAC-
Synonyms-
PubChem Id44584350
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsCOX-2 | NFKB1 | NOS2 | RELA |   All | 
Properties Physical   Elemental  Topological
InChi KeyJHOBCORAOIFSKW-YRLNXESFSA-N
InChi1S/C22H32O6/c1-10-12-8-13(24)16-21(5)7-6-14(25)20(3,4)17(21)15(28-11(2)23)19(27)22(16,9-12)18(10)26/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14+,15-,16+,17-,19+,21+,22+/m1/s1
SMILESO([C@@H]1[C@H]2[C@]([C@H]3[C@@]4([C@H]1O)C[C@@H](C[C@@H]3O)C(=C)C4=O)(CC[C@H](O)C2(C)C)C)C(=O)C
SMART[H]O[C@@]1([H])C([H])([H])[C@@]2([H])C(=C(/[H])[H])C(=O)[C@@]3(C2([H])[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2([H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]13[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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